(2S)-2-oxidanyl-2-phenyl-ethanoate; 3-(phenylmethyl)piperidin-1-ium

Systemtic Name: (2S)-2-oxidanyl-2-phenyl-ethanoate; 3-(phenylmethyl)piperidin-1-ium Openeye Name: 3-benzylpiperidin-1-ium; (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetate; 3-(phenylmethyl)piperidin-1-ium IUPAC Name: 3-benzylpiperidin-1-ium; (2S)-2-hydroxy-2-phenylacetate Traditional Name: 3-benzylpiperidin-1-ium; (2S)-2-hydroxy-2-phenyl-acetate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C1CC(C[NH2+]C1)CC2=CC=CC=C2.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C12H17N.C8H8O3/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,5-6,12-13H,4,7-10H2;1-5,7,9H,(H,10,11)/t;7-/m.0/s1